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Title: Magnetic properties and magnetocrystalline anisotropy of Nd 2Fe 17, Nd 2Fe 17X 3, and related compounds

Abstract

The electronic and magnetic properties of Nd 2Fe 17 and Nd 2Fe 17X 3 (X = C or N) compounds have been calculated using the first-principles density functional calculations. Among these, the nitrogen and carbon interstitial compounds exhibit all of the required properties such as a saturation moment of 1.6 T, Curie temperature of 700–750 K, however easy magnetic axis lies in the planar direction making them less attractive for permanent magnet applications. The calculated magnetocrystalline anisotropy energy is found to be -2.7 MJ/m 3 for Nd 2Fe 17C 3 and -4.7 MJ/m 3 for Nd 2Fe 17N 3. Finally, we further explored the possibility of changing the easy axis direction through La/Ce alloying at Nd site. Although the MAE is found to be smaller in magnitude for all the La/Ce alloys it still maintains planar direction.

Authors:
ORCiD logo [1]; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1435236
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Pandey, Tribhuwan, and Parker, David S. Magnetic properties and magnetocrystalline anisotropy of Nd2Fe17, Nd2Fe17X3, and related compounds. United States: N. p., 2018. Web. doi:10.1038/s41598-018-21969-8.
Pandey, Tribhuwan, & Parker, David S. Magnetic properties and magnetocrystalline anisotropy of Nd2Fe17, Nd2Fe17X3, and related compounds. United States. doi:10.1038/s41598-018-21969-8.
Pandey, Tribhuwan, and Parker, David S. Mon . "Magnetic properties and magnetocrystalline anisotropy of Nd2Fe17, Nd2Fe17X3, and related compounds". United States. doi:10.1038/s41598-018-21969-8. https://www.osti.gov/servlets/purl/1435236.
@article{osti_1435236,
title = {Magnetic properties and magnetocrystalline anisotropy of Nd2Fe17, Nd2Fe17X3, and related compounds},
author = {Pandey, Tribhuwan and Parker, David S.},
abstractNote = {The electronic and magnetic properties of Nd2Fe17 and Nd2Fe17X3 (X = C or N) compounds have been calculated using the first-principles density functional calculations. Among these, the nitrogen and carbon interstitial compounds exhibit all of the required properties such as a saturation moment of 1.6 T, Curie temperature of 700–750 K, however easy magnetic axis lies in the planar direction making them less attractive for permanent magnet applications. The calculated magnetocrystalline anisotropy energy is found to be -2.7 MJ/m3 for Nd2Fe17C3 and -4.7 MJ/m3 for Nd2Fe17N3. Finally, we further explored the possibility of changing the easy axis direction through La/Ce alloying at Nd site. Although the MAE is found to be smaller in magnitude for all the La/Ce alloys it still maintains planar direction.},
doi = {10.1038/s41598-018-21969-8},
journal = {Scientific Reports},
number = 1,
volume = 8,
place = {United States},
year = {Mon Feb 26 00:00:00 EST 2018},
month = {Mon Feb 26 00:00:00 EST 2018}
}

Journal Article:
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